tributyl phosphite

C12H27O3P — CID 7623

IUPACtributyl phosphite
SMILESCCCCOP(OCCCC)OCCCC
InChIInChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
InChIKeyXTTGYFREQJCEML-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.66
Rot. Bonds12

About tributyl phosphite

tributyl phosphite (PubChem CID 7623) has the molecular formula C12H27O3P and a molecular weight of 250.32 g/mol. Its IUPAC name is tributyl phosphite.

Molecular Properties

Compound Nametributyl phosphite
PubChem CID7623
Molecular FormulaC12H27O3P
Molecular Weight250.32 g/mol
Exact Mass250.17
IUPAC Nametributyl phosphite
SMILESCCCCOP(OCCCC)OCCCC
InChIInChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
InChIKeyXTTGYFREQJCEML-UHFFFAOYSA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl phosphite?
The IUPAC name of tributyl phosphite (CID 7623) is tributyl phosphite.
What is the SMILES notation for tributyl phosphite?
The canonical SMILES for tributyl phosphite is CCCCOP(OCCCC)OCCCC.
What is the InChIKey of tributyl phosphite?
The InChIKey is XTTGYFREQJCEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of tributyl phosphite?
tributyl phosphite has a molecular weight of 250.32 g/mol, XLogP of 4.66, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl phosphite is sourced from PubChem (CID 7623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).